Glycoside
...
GD026076

Name:
None

Formula:
C42H77O12N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@H]3[C@H]2OC(=NC(C)C)N3C)[C@@](C)(OC)C[C@H](C)N(C)C[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NC(C)C)N3C)C(C)(OC)CC(C)N(C)CC(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 3 FractionCSP3: 0.95
AlogP: 3.73 Num_rotatable_bonds: 8
MolWt: 816.09 Num_heavy_atoms: 57
TPSA: 170.44 NumAromaticRings: 0

Unique Aglycone
AD17214
Formula: C34H63O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NC(C)C)N3C)C(C)(OC)CC(C)N(C)CC(C)C(O)C1(C)O
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.8 Num_rotatable_bonds: 5
MolWt: 657.89 Num_heavy_atoms: 46
TPSA: 142.75 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O